4-Methylpiperazine-1-carbothioamide

Base Information

• Chemical Name: 4-Methylpiperazine-1-carbothioamide
• CAS No.: 33860-28-5
• Molecular Formula: C6H13 N3 S
• Molecular Weight: 159.255
• Hs Code.: 2933599090
• European Community (EC) Number: 848-806-9
• DSSTox Substance ID: DTXSID60366573
• Wikidata: Q82151843
• Mol file: 33860-28-5.mol

Synonyms:4-methylpiperazine-1-carbothioamide;33860-28-5;4-methyl-1-piperazinecarbothioamide;MFCD04116805;SCHEMBL501982;1-methyl-4-thiocarbamylpiperazine;DTXSID60366573;QFACSDPLAUCZBD-UHFFFAOYSA-N;4-methyl-1-piperazinylthiocarboxamide;STK327925;4-methyl-1-piperazinyl-thiocarboxamide;AKOS000122432;BS-37853;SY131803;N-ethyl-N-(N,N-dimethyl)aminoethylaniline;4-Methyl-piperazine-1-carbothioic acid amide;CS-0307792;FT-0756760;EN300-07336;F15077;4-Methyl-1-piperazinecarbothioamide, AldrichCPR;Z56968586

Chemical Property of 4-Methylpiperazine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 0.026mmHg at 25°C
• Boiling Point: 247.2°Cat760mmHg
• PKA: 16.22±0.20(Predicted)
• Flash Point: 103.3°C
• PSA: 64.59000
• Density: g/cm³
• LogP: 0.05350
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.08301860
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

4-Methylpiperazine-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=S)N

Technology Process of 4-Methylpiperazine-1-carbothioamide

There total 9 articles about 4-Methylpiperazine-1-carbothioamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-methyl-piperazine (109-01-3) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 4-methylpiperazine-1-carbothioamide (33860-28-5)

Guidance literature:

With ammonia; Yield given; Multistep reaction; 1.) THF, a) RT, 2 h, b) 55 deg C, 1 h, 2.) THF, 15 h;

DOI:10.1021/jm980413z

Reference yield:

1-methyl-piperazine (109-01-3) + di(1H-imidazol-2-yl)methanethione (88681-68-9) → 4-methylpiperazine-1-carbothioamide (33860-28-5)

Guidance literature:

1-methyl-piperazine; di(1H-imidazol-2-yl)methanethione; In tetrahydrofuran; at 20 - 55 ℃; for 3h;

With ammonia; In tetrahydrofuran; methanol; at 20 - 55 ℃; for 23h;

Reference yield:

1-methyl-piperazine (109-01-3) + imidazol-1-yl-(4-methyl-piperazin-1-yl)-methanethione (1039455-83-8) → 4-methylpiperazine-1-carbothioamide (33860-28-5)

Guidance literature:

With ammonia; In tetrahydrofuran; methanol; at 20 - 55 ℃; for 23h;

upstream raw materials:

N-methylpiperazine dihydrochloride

1-methyl-piperazine

1,1'-Thiocarbonyldiimidazole

4-methyl-piperazine-1-carbothioyl chloride

Downstream raw materials:

4-[2-(4-methyl-piperazin-1-yl)-thiazol-4-yl]-benzoic acid

C₁₄H₁₆BrN₃S

2(S)-<(2-benzoylphenyl)amino>-3-<4-<2-<5-methyl-2-(4-methylpiperazin-1-yl)thiazol-4-yl>ethoxy>phenyl>propionic acid methyl ester

3-[2-(4-methyl-piperazin-1-yl)-thiazol-4-yl]-benzoic acid

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